>compound 4-Methylsulfinylbutyl glucosinolate_4-Methylsulfinylbutyl glucosinolate
#instrument UPLC Q-Tof Premier, Waters
>formula C12H23NO10S3
#smiles OCC(O1)C(O)C(O)C(O)C1SC(CCCCS(C)=O)=NOS(O)(=O)=O
#RECORD LC-ESI-QTOF_train_data/PR100950.txt;LC-ESI-QTOF_train_data/PR100430.txt
>charge -1
>ionization [M-H]-
>parentmass 436.04059

>collision 5-60
74.9931 1222.0
79.959 386.9
95.9534 2871.0
96.9612 2979.0
178.0188 987.6
372.046 930.5
436.0406 3637.0

>collision 5-60
234.0055 24.71
260.0299 21.18
396.0591 97.14
476.0121 18.66

